el1:  Fe
struct:  bcc
lp:  2.851
ecoh:  4.28
surf:  111
size:  (1.0, 1.0, 7.0)
vacuum:  4.0
orig
n1: 7
ene1: -27.55945
ene1pa: -3.93706428571
esub: -4.28
sarea1:  14.0784571061
esurff1:  1365.95394228  mJ/m^2
relaxed
ene2m: -27.664044
ene2mpa: -3.95200628571
sarea2:  14.0784571061
esurff2m:  1306.43817021  mJ/m^2
